1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine

C13H22N4OS — CID 129344242

IUPAC1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN1CCO[C@H](CN(Cc2csnn2)CC2CC2)C1
InChIInChI=1S/C13H22N4OS/c1-16-4-5-18-13(8-16)9-17(6-11-2-3-11)7-12-10-19-15-14-12/h10-11,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyYWEKREPFCMPPSH-ZDUSSCGKSA-N
MW282.41 g/mol
LogP1.08
Rot. Bonds6

About 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine

1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 129344242) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID129344242
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN1CCO[C@H](CN(Cc2csnn2)CC2CC2)C1
InChIInChI=1S/C13H22N4OS/c1-16-4-5-18-13(8-16)9-17(6-11-2-3-11)7-12-10-19-15-14-12/h10-11,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyYWEKREPFCMPPSH-ZDUSSCGKSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine
CID 129344493
1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 129342931
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
2-[[(2S)-4-methylmorpholin-2-yl]methyl-[(5-methyl-2-pyridinyl)methyl]amino]acetamide
CID 129330485
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
N-(cyclopropylmethyl)-5-(dimethylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyrazine-2-carboxamide
CID 127976011
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 129003814
N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 129331504
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
1-(4-ethylmorpholin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115906891

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine (CID 129344242) is 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine is CN1CCO[C@H](CN(Cc2csnn2)CC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is YWEKREPFCMPPSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-16-4-5-18-13(8-16)9-17(6-11-2-3-11)7-12-10-19-15-14-12/h10-11,13H,2-9H2,1H3/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine?
1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 129344242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).