[4-amino-5-(methanesulfonamido)pentyl]carbamic acid

C7H17N3O4S — CID 150141641

IUPAC[4-amino-5-(methanesulfonamido)pentyl]carbamic acid
SMILESCS(=O)(=O)NCC(N)CCCNC(=O)O
InChIInChI=1S/C7H17N3O4S/c1-15(13,14)10-5-6(8)3-2-4-9-7(11)12/h6,9-10H,2-5,8H2,1H3,(H,11,12)
InChIKeyFDKCTOLMNPZUEZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP-1.09
Rot. Bonds7

About [4-amino-5-(methanesulfonamido)pentyl]carbamic acid

[4-amino-5-(methanesulfonamido)pentyl]carbamic acid (PubChem CID 150141641) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is [4-amino-5-(methanesulfonamido)pentyl]carbamic acid.

Molecular Properties

Compound Name[4-amino-5-(methanesulfonamido)pentyl]carbamic acid
PubChem CID150141641
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Name[4-amino-5-(methanesulfonamido)pentyl]carbamic acid
SMILESCS(=O)(=O)NCC(N)CCCNC(=O)O
InChIInChI=1S/C7H17N3O4S/c1-15(13,14)10-5-6(8)3-2-4-9-7(11)12/h6,9-10H,2-5,8H2,1H3,(H,11,12)
InChIKeyFDKCTOLMNPZUEZ-UHFFFAOYSA-N
XLogP-1.09
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(4S)-4-amino-5-hydroxypentyl]carbamic acid
CID 87488946
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
(3-amino-4-hydroxybutyl)carbamic acid
CID 129243477
5-(carbamothioylamino)pentylcarbamic acid
CID 23442541
2-amino-N-[3-(methanesulfonamido)propyl]-4-phenylbutanamide
CID 106336413
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
CID 57250852
5-(methylsulfamoyl)pentylcarbamic acid
CID 87271988
butylcarbamic acid
CID 3026651
3-aminopropylcarbamic acid
CID 3023499
azane;2-methylsulfonylethylcarbamic acid
CID 174924120
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
The IUPAC name of [4-amino-5-(methanesulfonamido)pentyl]carbamic acid (CID 150141641) is [4-amino-5-(methanesulfonamido)pentyl]carbamic acid.
What is the SMILES notation for [4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
The canonical SMILES for [4-amino-5-(methanesulfonamido)pentyl]carbamic acid is CS(=O)(=O)NCC(N)CCCNC(=O)O.
What is the InChIKey of [4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
The InChIKey is FDKCTOLMNPZUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-15(13,14)10-5-6(8)3-2-4-9-7(11)12/h6,9-10H,2-5,8H2,1H3,(H,11,12).
What are the key properties of [4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
[4-amino-5-(methanesulfonamido)pentyl]carbamic acid has a molecular weight of 239.30 g/mol, XLogP of -1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-(methanesulfonamido)pentyl]carbamic acid is sourced from PubChem (CID 150141641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).