[(2S)-1-sulfanylpropan-2-yl]carbamic acid

C4H9NO2S — CID 135369697

IUPAC[(2S)-1-sulfanylpropan-2-yl]carbamic acid
SMILESC[C@@H](CS)NC(=O)O
InChIInChI=1S/C4H9NO2S/c1-3(2-8)5-4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyOTDWAVFUWZLVQI-VKHMYHEASA-N
MW135.19 g/mol
LogP0.57
Rot. Bonds2

About [(2S)-1-sulfanylpropan-2-yl]carbamic acid

[(2S)-1-sulfanylpropan-2-yl]carbamic acid (PubChem CID 135369697) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is [(2S)-1-sulfanylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-sulfanylpropan-2-yl]carbamic acid
PubChem CID135369697
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name[(2S)-1-sulfanylpropan-2-yl]carbamic acid
SMILESC[C@@H](CS)NC(=O)O
InChIInChI=1S/C4H9NO2S/c1-3(2-8)5-4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyOTDWAVFUWZLVQI-VKHMYHEASA-N
XLogP0.57
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-sulfanylpropan-2-ylurea
CID 89224596
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
pent-4-en-2-ylcarbamic acid
CID 146626901
1-sulfamoylpropan-2-ylcarbamic acid
CID 170165167
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
CID 146452761
5-(ethylamino)pentan-2-ylcarbamic acid
CID 87840492
[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
CID 118978249
cyclopentane;propan-2-ylcarbamic acid
CID 169143516

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-sulfanylpropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-sulfanylpropan-2-yl]carbamic acid (CID 135369697) is [(2S)-1-sulfanylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-sulfanylpropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-sulfanylpropan-2-yl]carbamic acid is C[C@@H](CS)NC(=O)O.
What is the InChIKey of [(2S)-1-sulfanylpropan-2-yl]carbamic acid?
The InChIKey is OTDWAVFUWZLVQI-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2S/c1-3(2-8)5-4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of [(2S)-1-sulfanylpropan-2-yl]carbamic acid?
[(2S)-1-sulfanylpropan-2-yl]carbamic acid has a molecular weight of 135.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-sulfanylpropan-2-yl]carbamic acid is sourced from PubChem (CID 135369697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).