N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide

C10H17N3O2S — CID 103388606

IUPACN-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(CN)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H17N3O2S/c1-8(7-11)12-9-3-5-10(6-4-9)13-16(2,14)15/h3-6,8,12-13H,7,11H2,1-2H3
InChIKeyVCFSABDGRJNEGZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.82
Rot. Bonds5

About N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide

N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide (PubChem CID 103388606) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
PubChem CID103388606
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(CN)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H17N3O2S/c1-8(7-11)12-9-3-5-10(6-4-9)13-16(2,14)15/h3-6,8,12-13H,7,11H2,1-2H3
InChIKeyVCFSABDGRJNEGZ-UHFFFAOYSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide
CID 43725216
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 63732783
N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
CID 107441669
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
4-(1-aminopropan-2-ylamino)benzoic acid
CID 103387752
CID 90390717
CID 90390717
1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
CID 103388916
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide (CID 103388606) is N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide is CC(CN)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is VCFSABDGRJNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8(7-11)12-9-3-5-10(6-4-9)13-16(2,14)15/h3-6,8,12-13H,7,11H2,1-2H3.
What are the key properties of N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide?
N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 103388606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).