(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol

C10H21NOS — CID 97051575

IUPAC(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@H]1CCCSC1
InChIInChI=1S/C10H21NOS/c1-9(4-2-6-12)11-10-5-3-7-13-8-10/h9-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyCRDSZVDHCHZDDR-ZJUUUORDSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds5

About (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol

(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol (PubChem CID 97051575) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
PubChem CID97051575
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@H]1CCCSC1
InChIInChI=1S/C10H21NOS/c1-9(4-2-6-12)11-10-5-3-7-13-8-10/h9-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyCRDSZVDHCHZDDR-ZJUUUORDSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thiolan-3-ylamino)pentan-1-ol
CID 75356498
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
N-(6-methylhept-5-en-2-yl)thian-3-amine
CID 115726564
N-(4-ethylsulfanylbutan-2-yl)thian-3-amine
CID 115882201
1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
CID 82945113
2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
N-[4-(4-methoxyphenyl)butan-2-yl]thian-3-amine
CID 115726558
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
CID 97051577
4-(thiolan-3-ylamino)pentanoic acid
CID 103062625

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol?
The IUPAC name of (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol (CID 97051575) is (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol?
The canonical SMILES for (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol is C[C@H](CCCO)N[C@H]1CCCSC1.
What is the InChIKey of (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol?
The InChIKey is CRDSZVDHCHZDDR-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(4-2-6-12)11-10-5-3-7-13-8-10/h9-12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol?
(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol is sourced from PubChem (CID 97051575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).