2-N-(thiolan-3-yl)propane-1,2-diamine

C7H16N2S — CID 103391245

IUPAC2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESCC(CN)NC1CCSC1
InChIInChI=1S/C7H16N2S/c1-6(4-8)9-7-2-3-10-5-7/h6-7,9H,2-5,8H2,1H3
InChIKeyKAYBELRFCSEKLL-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.43
Rot. Bonds3

About 2-N-(thiolan-3-yl)propane-1,2-diamine

2-N-(thiolan-3-yl)propane-1,2-diamine (PubChem CID 103391245) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-N-(thiolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(thiolan-3-yl)propane-1,2-diamine
PubChem CID103391245
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESCC(CN)NC1CCSC1
InChIInChI=1S/C7H16N2S/c1-6(4-8)9-7-2-3-10-5-7/h6-7,9H,2-5,8H2,1H3
InChIKeyKAYBELRFCSEKLL-UHFFFAOYSA-N
XLogP0.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thiolan-3-ylamino)pentan-1-ol
CID 75356498
N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide
CID 103063282
4-(thiolan-3-ylamino)pentanoic acid
CID 103062625
N-[(1R)-1-cyclopentylethyl]thiolan-3-amine
CID 81394776
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644
N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
CID 130708891
1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
CID 82945113
N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
N-pentan-2-ylthian-4-amine
CID 43394859
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-bromophenyl)propan-2-yl]thiolan-3-amine
CID 115713987

Frequently Asked Questions

What is the IUPAC name of 2-N-(thiolan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(thiolan-3-yl)propane-1,2-diamine (CID 103391245) is 2-N-(thiolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(thiolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(thiolan-3-yl)propane-1,2-diamine is CC(CN)NC1CCSC1.
What is the InChIKey of 2-N-(thiolan-3-yl)propane-1,2-diamine?
The InChIKey is KAYBELRFCSEKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6(4-8)9-7-2-3-10-5-7/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-N-(thiolan-3-yl)propane-1,2-diamine?
2-N-(thiolan-3-yl)propane-1,2-diamine has a molecular weight of 160.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 103391245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).