2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide

C9H18N2O2S — CID 81187710

IUPAC2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide
SMILESCC(CN)S(=O)CC(=O)NCC1CC1
InChIInChI=1S/C9H18N2O2S/c1-7(4-10)14(13)6-9(12)11-5-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyGNMSRCUAOFRSNY-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.39
Rot. Bonds6

About 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide

2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide (PubChem CID 81187710) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide
PubChem CID81187710
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide
SMILESCC(CN)S(=O)CC(=O)NCC1CC1
InChIInChI=1S/C9H18N2O2S/c1-7(4-10)14(13)6-9(12)11-5-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyGNMSRCUAOFRSNY-UHFFFAOYSA-N
XLogP-0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81200813
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81195692
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
CID 106135609
(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 107775688
2-[4-aminobutan-2-yl(methyl)amino]-N-(cyclopropylmethyl)acetamide
CID 63225580
2-oxo-2-(piperidin-4-ylmethylamino)ethanesulfinic acid
CID 84685887
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
4-[[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525645

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide (CID 81187710) is 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide is CC(CN)S(=O)CC(=O)NCC1CC1.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is GNMSRCUAOFRSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(4-10)14(13)6-9(12)11-5-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide?
2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 218.32 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 81187710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).