1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine

C9H21N3O2S — CID 114816801

IUPAC1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine
SMILESCC(C)CNS(=O)(=O)NC1(CN)CCC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)6-11-15(13,14)12-9(7-10)4-3-5-9/h8,11-12H,3-7,10H2,1-2H3
InChIKeyBXAXPZZHFJJPCN-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds6

About 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine

1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine (PubChem CID 114816801) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine
PubChem CID114816801
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine
SMILESCC(C)CNS(=O)(=O)NC1(CN)CCC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)6-11-15(13,14)12-9(7-10)4-3-5-9/h8,11-12H,3-7,10H2,1-2H3
InChIKeyBXAXPZZHFJJPCN-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114815070
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803370
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine
CID 114812998
N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119566905
N-[1-(aminomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 63687829
3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid
CID 114814506
1-(aminomethyl)-1-(diethylsulfamoylamino)cyclopentane
CID 28940522
4-ethyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114815218
N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2-methylpropan-1-amine
CID 114816751
N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 119980611

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine (CID 114816801) is 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine is CC(C)CNS(=O)(=O)NC1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine?
The InChIKey is BXAXPZZHFJJPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(2)6-11-15(13,14)12-9(7-10)4-3-5-9/h8,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine?
1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine is sourced from PubChem (CID 114816801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).