(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide

C16H26Cl2N2OS — CID 99807217

IUPAC(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C16H26Cl2N2OS/c1-14(11-16(14,17)18)13(21)19-12-15(5-3-2-4-6-15)20-7-9-22-10-8-20/h2-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMXNVWYUXUDUFCY-CQSZACIVSA-N
MW365.37 g/mol
LogP3.44
Rot. Bonds4

About (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide (PubChem CID 99807217) has the molecular formula C16H26Cl2N2OS and a molecular weight of 365.37 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
PubChem CID99807217
Molecular FormulaC16H26Cl2N2OS
Molecular Weight365.37 g/mol
Exact Mass364.11
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C16H26Cl2N2OS/c1-14(11-16(14,17)18)13(21)19-12-15(5-3-2-4-6-15)20-7-9-22-10-8-20/h2-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMXNVWYUXUDUFCY-CQSZACIVSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
CID 120941832
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941831
1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 71985715
4-acetyl-N'-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119160236
2-methyl-1-propyl-3-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111829013
4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031288
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
CID 120646901
5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
CID 119041699

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide (CID 99807217) is (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide is C[C@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is MXNVWYUXUDUFCY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26Cl2N2OS/c1-14(11-16(14,17)18)13(21)19-12-15(5-3-2-4-6-15)20-7-9-22-10-8-20/h2-12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99807217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).