(1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide

C10H15Cl2NO2S — CID 95987655

IUPAC(1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCSCC1)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2NO2S/c11-10(12)5-7(10)8(14)13-6-9(15)1-3-16-4-2-9/h7,15H,1-6H2,(H,13,14)/t7-/m1/s1
InChIKeyBSQKEHWNABSYNN-SSDOTTSWSA-N
MW284.21 g/mol
LogP1.55
Rot. Bonds3

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

(1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 95987655) has the molecular formula C10H15Cl2NO2S and a molecular weight of 284.21 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID95987655
Molecular FormulaC10H15Cl2NO2S
Molecular Weight284.21 g/mol
Exact Mass283.02
IUPAC Name(1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCSCC1)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2NO2S/c11-10(12)5-7(10)8(14)13-6-9(15)1-3-16-4-2-9/h7,15H,1-6H2,(H,13,14)/t7-/m1/s1
InChIKeyBSQKEHWNABSYNN-SSDOTTSWSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
CID 130628525
N-(1-adamantylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78780282
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725
N-[(4-hydroxythian-4-yl)methyl]-3-phenylprop-2-ynamide
CID 111595874
2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484770
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
methyl 2-[[(1S)-2,2-dichlorocyclopropanecarbonyl]amino]acetate
CID 99812001
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832
1-[(3-hydroxythiolan-3-yl)methyl]-3-propan-2-ylurea
CID 111597399
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299
N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
CID 130645691

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide (CID 95987655) is (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide is O=C(NCC1(O)CCSCC1)[C@H]1CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is BSQKEHWNABSYNN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15Cl2NO2S/c11-10(12)5-7(10)8(14)13-6-9(15)1-3-16-4-2-9/h7,15H,1-6H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 284.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-[(4-hydroxythian-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95987655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).