2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol

C7H17NOS — CID 130752179

IUPAC2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol
SMILESC[C@@H](N)CSC(C)(C)CO
InChIInChI=1S/C7H17NOS/c1-6(8)4-10-7(2,3)5-9/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyVCHFCCSUUVFSID-ZCFIWIBFSA-N
MW163.29 g/mol
LogP0.84
Rot. Bonds4

About 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol

2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 130752179) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol
PubChem CID130752179
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol
SMILESC[C@@H](N)CSC(C)(C)CO
InChIInChI=1S/C7H17NOS/c1-6(8)4-10-7(2,3)5-9/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyVCHFCCSUUVFSID-ZCFIWIBFSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-propylsulfanylpropan-1-ol
CID 116852243
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
CID 104889279
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(3R)-4-amino-3,4-dimethylpentan-1-ol
CID 97030968
2,2,3-trimethylpentane-1,5-diol
CID 57197180
4-(2-aminopropylsulfanyl)butan-1-ol
CID 66217716
2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol
CID 130641116
(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoic acid
CID 91474613
alumane;2,2-dimethylpropan-1-ol
CID 174479314
3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
CID 107772376
2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
CID 87217898

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol (CID 130752179) is 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol is C[C@@H](N)CSC(C)(C)CO.
What is the InChIKey of 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is VCHFCCSUUVFSID-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17NOS/c1-6(8)4-10-7(2,3)5-9/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol?
2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 163.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 130752179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).