(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol

C8H17NOS — CID 28723252

IUPAC(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-2-7(5-10)9-8-3-4-11-6-8/h7-10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyHHFFKTWJCFMMQS-JGVFFNPUSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds4

About (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol

(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol (PubChem CID 28723252) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
PubChem CID28723252
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-2-7(5-10)9-8-3-4-11-6-8/h7-10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyHHFFKTWJCFMMQS-JGVFFNPUSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine
CID 115901781
2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644
N-pent-1-yn-3-ylthiolan-3-amine
CID 103062821
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol
CID 99830890
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
2-(thiolan-3-ylamino)but-3-en-1-ol
CID 131206958
N-(1-methylsulfanylbutan-2-yl)thian-4-amine
CID 115901705
ethyl 2-(thiolan-3-ylamino)butanoate
CID 103062793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol?
The IUPAC name of (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol (CID 28723252) is (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol is CC[C@@H](CO)N[C@@H]1CCSC1.
What is the InChIKey of (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol?
The InChIKey is HHFFKTWJCFMMQS-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-7(5-10)9-8-3-4-11-6-8/h7-10H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol?
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol is sourced from PubChem (CID 28723252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).