(2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide

C11H25N5O3S — CID 87204173

IUPAC(2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide
SMILESCCCCCS(=O)(=O)N[C@@H](CCCN=C(N)N)C(N)=O
InChIInChI=1S/C11H25N5O3S/c1-2-3-4-8-20(18,19)16-9(10(12)17)6-5-7-15-11(13)14/h9,16H,2-8H2,1H3,(H2,12,17)(H4,13,14,15)/t9-/m0/s1
InChIKeySKOWVTGBYGDLLW-VIFPVBQESA-N
MW307.42 g/mol
LogP-1.00
Rot. Bonds11

About (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide

(2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide (PubChem CID 87204173) has the molecular formula C11H25N5O3S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide
PubChem CID87204173
Molecular FormulaC11H25N5O3S
Molecular Weight307.42 g/mol
Exact Mass307.17
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide
SMILESCCCCCS(=O)(=O)N[C@@H](CCCN=C(N)N)C(N)=O
InChIInChI=1S/C11H25N5O3S/c1-2-3-4-8-20(18,19)16-9(10(12)17)6-5-7-15-11(13)14/h9,16H,2-8H2,1H3,(H2,12,17)(H4,13,14,15)/t9-/m0/s1
InChIKeySKOWVTGBYGDLLW-VIFPVBQESA-N
XLogP-1.00
TPSA153.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
CID 87921702
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
CID 19382481
(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838
methyl (2S)-5-(diaminomethylideneamino)-2-(tridecanoylamino)pentanoate
CID 101199795
(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide
CID 40548649
N-[3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]tetradecanamide
CID 11316991
N-[3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]icosanamide
CID 25198273
N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide
CID 11283359
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide (CID 87204173) is (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide is CCCCCS(=O)(=O)N[C@@H](CCCN=C(N)N)C(N)=O.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide?
The InChIKey is SKOWVTGBYGDLLW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H25N5O3S/c1-2-3-4-8-20(18,19)16-9(10(12)17)6-5-7-15-11(13)14/h9,16H,2-8H2,1H3,(H2,12,17)(H4,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide?
(2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide has a molecular weight of 307.42 g/mol, XLogP of -1.00, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-2-(pentylsulfonylamino)pentanamide is sourced from PubChem (CID 87204173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).