N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide

C9H17NOS — CID 107030339

IUPACN-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide
SMILESCC(CC1CC1)NC(=O)C(C)S
InChIInChI=1S/C9H17NOS/c1-6(5-8-3-4-8)10-9(11)7(2)12/h6-8,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyOOWVZMMEGSVUPH-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.61
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide

N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide (PubChem CID 107030339) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide
PubChem CID107030339
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide
SMILESCC(CC1CC1)NC(=O)C(C)S
InChIInChI=1S/C9H17NOS/c1-6(5-8-3-4-8)10-9(11)7(2)12/h6-8,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyOOWVZMMEGSVUPH-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
CID 63994028
2-amino-N-(1-cyclopropylpropan-2-yl)butanediamide;hydrochloride
CID 119957385
N-(1-cyclopropylpropan-2-yl)-2-hydroxy-2-methylpropanamide
CID 103430059
1-amino-N-(1-cyclopropylpropan-2-yl)cyclopropane-1-carboxamide
CID 65457255
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylacetamide;hydrochloride
CID 119324224
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 63993771
(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 107840066
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide (CID 107030339) is N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide is CC(CC1CC1)NC(=O)C(C)S.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide?
The InChIKey is OOWVZMMEGSVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6(5-8-3-4-8)10-9(11)7(2)12/h6-8,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide?
N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide has a molecular weight of 187.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107030339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).