2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine

C11H22N2S — CID 61419807

IUPAC2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine
SMILESCC(N)(CN1CCCSCC1)C1CC1
InChIInChI=1S/C11H22N2S/c1-11(12,10-3-4-10)9-13-5-2-7-14-8-6-13/h10H,2-9,12H2,1H3
InChIKeyLIOJEZIJWWTSGM-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds3

About 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine

2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine (PubChem CID 61419807) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine
PubChem CID61419807
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine
SMILESCC(N)(CN1CCCSCC1)C1CC1
InChIInChI=1S/C11H22N2S/c1-11(12,10-3-4-10)9-13-5-2-7-14-8-6-13/h10H,2-9,12H2,1H3
InChIKeyLIOJEZIJWWTSGM-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine
CID 55141867
3-(1,4-thiazepan-4-ylmethyl)pentan-3-amine
CID 79813676
2,2-dimethyl-3-(1,4-thiazepan-4-yl)propanal
CID 62277230
3,3-dimethyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 66453476
2-cyclopropyl-1-(4,4-diethylpiperidin-1-yl)propan-2-amine
CID 55159305
1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
CID 62775737
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
CID 97100147
N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
CID 62259536
2,2-dimethyl-4-(1,4-thiazepan-4-yl)butan-1-amine
CID 65247473
2-methyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 79360816
2-(4-tert-butylcyclohexyl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 104575373
N,2-diethyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 62270235

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine?
The IUPAC name of 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine (CID 61419807) is 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine?
The canonical SMILES for 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine is CC(N)(CN1CCCSCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine?
The InChIKey is LIOJEZIJWWTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-11(12,10-3-4-10)9-13-5-2-7-14-8-6-13/h10H,2-9,12H2,1H3.
What are the key properties of 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine?
2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine is sourced from PubChem (CID 61419807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).