2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine

C11H20N2OS — CID 89410491

IUPAC2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine
SMILESC=C(N=O)[C@H](CCSC)NC1CC1(C)C
InChIInChI=1S/C11H20N2OS/c1-8(13-14)9(5-6-15-4)12-10-7-11(10,2)3/h9-10,12H,1,5-7H2,2-4H3/t9-,10?/m0/s1
InChIKeyGUCXMMPELDSHBQ-RGURZIINSA-N
MW228.36 g/mol
LogP2.78
Rot. Bonds7

About 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine

2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine (PubChem CID 89410491) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine
PubChem CID89410491
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine
SMILESC=C(N=O)[C@H](CCSC)NC1CC1(C)C
InChIInChI=1S/C11H20N2OS/c1-8(13-14)9(5-6-15-4)12-10-7-11(10,2)3/h9-10,12H,1,5-7H2,2-4H3/t9-,10?/m0/s1
InChIKeyGUCXMMPELDSHBQ-RGURZIINSA-N
XLogP2.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
CID 88985534
2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
CID 103244093
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109
(2R)-2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoic acid
CID 7128712
(2S)-4-methylsulfanyl-2-[[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]butanoic acid
CID 126442054
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
CID 141025880
methyl 2-(methylamino)-4-methylsulfanylbutanoate
CID 23436119
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine (CID 89410491) is 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine is C=C(N=O)[C@H](CCSC)NC1CC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine?
The InChIKey is GUCXMMPELDSHBQ-RGURZIINSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(13-14)9(5-6-15-4)12-10-7-11(10,2)3/h9-10,12H,1,5-7H2,2-4H3/t9-,10?/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine?
2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 89410491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).