(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine

C11H22N2S — CID 164653873

IUPAC(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine
SMILESC1CSCCC(CN[C@H]2CCNC2)C1
InChIInChI=1S/C11H22N2S/c1-2-10(4-7-14-6-1)8-13-11-3-5-12-9-11/h10-13H,1-9H2/t10?,11-/m0/s1
InChIKeyNWCCTLAQOARUGU-DTIOYNMSSA-N
MW214.38 g/mol
LogP1.47
Rot. Bonds3

About (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine

(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 164653873) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine
PubChem CID164653873
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine
SMILESC1CSCCC(CN[C@H]2CCNC2)C1
InChIInChI=1S/C11H22N2S/c1-2-10(4-7-14-6-1)8-13-11-3-5-12-9-11/h10-13H,1-9H2/t10?,11-/m0/s1
InChIKeyNWCCTLAQOARUGU-DTIOYNMSSA-N
XLogP1.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
CID 105442353
N-[(3-aminocyclopentyl)methyl]pyrrolidin-3-amine
CID 105440870
N-[(4-methylcyclohexyl)methyl]piperidin-3-amine
CID 63243171
N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
CID 143248684
N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333
4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 115653911
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 79731365
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine (CID 164653873) is (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine is C1CSCCC(CN[C@H]2CCNC2)C1.
What is the InChIKey of (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is NWCCTLAQOARUGU-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-10(4-7-14-6-1)8-13-11-3-5-12-9-11/h10-13H,1-9H2/t10?,11-/m0/s1.
What are the key properties of (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine?
(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 164653873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).