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

C7H17N3O4S — CID 87399679

IUPAC[(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid
SMILESCS(=O)(=O)NC[C@@H](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)/t6-/m0/s1
InChIKeyFDKCTOLMNPZUEZ-LURJTMIESA-N
MW239.30 g/mol
LogP-1.09
Rot. Bonds7

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

[(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid (PubChem CID 87399679) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid.

Molecular Properties

Compound Name[(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid
PubChem CID87399679
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Name[(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid
SMILESCS(=O)(=O)NC[C@@H](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)/t6-/m0/s1
InChIKeyFDKCTOLMNPZUEZ-LURJTMIESA-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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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
The IUPAC name of [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid (CID 87399679) is [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid.
What is the SMILES notation for [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
The canonical SMILES for [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid is CS(=O)(=O)NC[C@@H](N)CCCNC(=O)O.
What is the InChIKey of [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
The InChIKey is FDKCTOLMNPZUEZ-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid?
[(4S)-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 [(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid is sourced from PubChem (CID 87399679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).