(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide

C9H21N3O3S — CID 103795309

IUPAC(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C9H21N3O3S/c1-3-5-8(10)9(13)11-6-4-7-12-16(2,14)15/h8,12H,3-7,10H2,1-2H3,(H,11,13)/t8-/m1/s1
InChIKeyYZANDYCSPIOBGJ-MRVPVSSYSA-N
MW251.35 g/mol
LogP-0.83
Rot. Bonds8

About (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide

(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide (PubChem CID 103795309) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
PubChem CID103795309
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C9H21N3O3S/c1-3-5-8(10)9(13)11-6-4-7-12-16(2,14)15/h8,12H,3-7,10H2,1-2H3,(H,11,13)/t8-/m1/s1
InChIKeyYZANDYCSPIOBGJ-MRVPVSSYSA-N
XLogP-0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-butylpentanamide
CID 82668431
2-amino-N-[3-(methanesulfonamido)propyl]-4-phenylbutanamide
CID 106336413
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide (CID 103795309) is (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide is CCC[C@@H](N)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide?
The InChIKey is YZANDYCSPIOBGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-3-5-8(10)9(13)11-6-4-7-12-16(2,14)15/h8,12H,3-7,10H2,1-2H3,(H,11,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide?
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide has a molecular weight of 251.35 g/mol, XLogP of -0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide is sourced from PubChem (CID 103795309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).