(1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene

C16H26N2O2S — CID 97209239

IUPAC(1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene
SMILESCC(C)N(C)S(=O)(=O)N[C@H]1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H26N2O2S/c1-12(2)18(5)21(19,20)17-15-10-11-16(3,4)14-9-7-6-8-13(14)15/h6-9,12,15,17H,10-11H2,1-5H3/t15-/m0/s1
InChIKeyYYMDXKAFEREXRZ-HNNXBMFYSA-N
MW310.46 g/mol
LogP2.97
Rot. Bonds4

About (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene

(1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene (PubChem CID 97209239) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene
PubChem CID97209239
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene
SMILESCC(C)N(C)S(=O)(=O)N[C@H]1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H26N2O2S/c1-12(2)18(5)21(19,20)17-15-10-11-16(3,4)14-9-7-6-8-13(14)15/h6-9,12,15,17H,10-11H2,1-5H3/t15-/m0/s1
InChIKeyYYMDXKAFEREXRZ-HNNXBMFYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene 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

(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
(2R)-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 114985663
4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63455822
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147335
N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 102695797
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43147385
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one
CID 83047721
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 52909093
N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 52909094
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 52510634

Frequently Asked Questions

What is the IUPAC name of (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene?
The IUPAC name of (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene (CID 97209239) is (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene is CC(C)N(C)S(=O)(=O)N[C@H]1CCC(C)(C)c2ccccc21.
What is the InChIKey of (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene?
The InChIKey is YYMDXKAFEREXRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)18(5)21(19,20)17-15-10-11-16(3,4)14-9-7-6-8-13(14)15/h6-9,12,15,17H,10-11H2,1-5H3/t15-/m0/s1.
What are the key properties of (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene?
(1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene has a molecular weight of 310.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 97209239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).