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

C7H15NOS — CID 93033310

IUPAC(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H]1CCSC1
InChIInChI=1S/C7H15NOS/c1-6(9)4-8-7-2-3-10-5-7/h6-9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyGKXYSOJXQMVTKS-BQBZGAKWSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds3

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

(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol (PubChem CID 93033310) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
PubChem CID93033310
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H]1CCSC1
InChIInChI=1S/C7H15NOS/c1-6(9)4-8-7-2-3-10-5-7/h6-9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyGKXYSOJXQMVTKS-BQBZGAKWSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thian-3-ylamino)propan-2-ol
CID 62873442
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
CID 117234419
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
N-(2-ethoxypropyl)thiolan-3-amine
CID 115724223
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
1-cyclopropyl-2-(thian-3-ylamino)ethanol
CID 63295321
N-(2-piperidin-1-ylpropyl)thiolan-3-amine
CID 61011012
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
CID 115920118
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol (CID 93033310) is (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol is C[C@H](O)CN[C@H]1CCSC1.
What is the InChIKey of (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol?
The InChIKey is GKXYSOJXQMVTKS-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(9)4-8-7-2-3-10-5-7/h6-9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol?
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol has a molecular weight of 161.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol is sourced from PubChem (CID 93033310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).