1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene

C14H18N2O2S — CID 35308399

IUPAC1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
SMILESC[C@H](NS(=O)(=O)N(C)C)c1cccc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-11(15-19(17,18)16(2)3)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,15H,1-3H3/t11-/m0/s1
InChIKeyDFVMFKZAYGLXCM-NSHDSACASA-N
MW278.38 g/mol
LogP2.30
Rot. Bonds4

About 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene

1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene (PubChem CID 35308399) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene.

Molecular Properties

Compound Name1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
PubChem CID35308399
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
SMILESC[C@H](NS(=O)(=O)N(C)C)c1cccc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-11(15-19(17,18)16(2)3)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,15H,1-3H3/t11-/m0/s1
InChIKeyDFVMFKZAYGLXCM-NSHDSACASA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 42955136
1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene
CID 134035733
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
N-[(1S)-1-naphthalen-1-ylethyl]pyridine-2-sulfonamide
CID 11289932
2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine
CID 141080662
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 46799948
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene?
The IUPAC name of 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene (CID 35308399) is 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene.
What is the SMILES notation for 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene?
The canonical SMILES for 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene is C[C@H](NS(=O)(=O)N(C)C)c1cccc2ccccc12.
What is the InChIKey of 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene?
The InChIKey is DFVMFKZAYGLXCM-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11(15-19(17,18)16(2)3)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,15H,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene?
1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene has a molecular weight of 278.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene is sourced from PubChem (CID 35308399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).