N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane

C7H18N2S — CID 159305562

IUPACN-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
SMILESCCNC[C@@H]1CCNC1.S
InChIInChI=1S/C7H16N2.H2S/c1-2-8-5-7-3-4-9-6-7;/h7-9H,2-6H2,1H3;1H2/t7-;/m0./s1
InChIKeyLBWKCSAYOXPCCP-FJXQXJEOSA-N
MW162.30 g/mol
LogP0.32
Rot. Bonds3

About N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane

N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane (PubChem CID 159305562) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane.

Molecular Properties

Compound NameN-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
PubChem CID159305562
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
SMILESCCNC[C@@H]1CCNC1.S
InChIInChI=1S/C7H16N2.H2S/c1-2-8-5-7-3-4-9-6-7;/h7-9H,2-6H2,1H3;1H2/t7-;/m0./s1
InChIKeyLBWKCSAYOXPCCP-FJXQXJEOSA-N
XLogP0.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 121359030
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
(2S)-2-[[(3S)-pyrrolidin-3-yl]methylamino]propan-1-ol;sulfane
CID 160904644
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
N-[[(6S,7S)-7-(ethylaminomethyl)-1,4-diazocan-6-yl]methyl]ethanamine
CID 59071592
ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225
N-methoxy-1-pyrrolidin-3-ylmethanamine
CID 14478542
N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine
CID 153331663
ethane;3-ethylpyrrolidine
CID 143803201

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane?
The IUPAC name of N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane (CID 159305562) is N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane.
What is the SMILES notation for N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane?
The canonical SMILES for N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane is CCNC[C@@H]1CCNC1.S.
What is the InChIKey of N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane?
The InChIKey is LBWKCSAYOXPCCP-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H16N2.H2S/c1-2-8-5-7-3-4-9-6-7;/h7-9H,2-6H2,1H3;1H2/t7-;/m0./s1.
What are the key properties of N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane?
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane has a molecular weight of 162.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane is sourced from PubChem (CID 159305562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).