N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide

C16H30N4O2S — CID 129253107

IUPACN-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide
SMILESNC(=O)N[C@H]1CS[C@@H](CCCCC(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C16H30N4O2S/c17-11-5-7-12(8-6-11)19-15(21)4-2-1-3-14-9-13(10-23-14)20-16(18)22/h11-14H,1-10,17H2,(H,19,21)(H3,18,20,22)/t11?,12?,13-,14+/m1/s1
InChIKeyGHJLXHJPENRBAQ-PQAZSJQKSA-N
MW342.51 g/mol
LogP1.48
Rot. Bonds7

About N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide

N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide (PubChem CID 129253107) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide
PubChem CID129253107
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC NameN-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide
SMILESNC(=O)N[C@H]1CS[C@@H](CCCCC(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C16H30N4O2S/c17-11-5-7-12(8-6-11)19-15(21)4-2-1-3-14-9-13(10-23-14)20-16(18)22/h11-14H,1-10,17H2,(H,19,21)(H3,18,20,22)/t11?,12?,13-,14+/m1/s1
InChIKeyGHJLXHJPENRBAQ-PQAZSJQKSA-N
XLogP1.48
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.48
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

N-(2-azidoethyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide
CID 173496908
N-(4-aminocyclohexyl)-5-bromopentanamide
CID 107909975
N,N'-dicyclopropyldecanediamide
CID 4668836
N-(4-aminocyclohexyl)hex-5-enamide
CID 119478568
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
3-(4-aminocyclohexyl)-N-(4-hydroxycyclohexyl)propanamide
CID 62776158
6-[(2S,4R)-4-aminothiolan-2-yl]hexan-2-one
CID 163416224
N-(4-aminocyclohexyl)-3-(methylamino)propanamide
CID 62319076
4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
CID 107908592
3-[(3-aminocyclopentyl)amino]-N-cyclopropylpropanamide
CID 79462547
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide (CID 129253107) is N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide is NC(=O)N[C@H]1CS[C@@H](CCCCC(=O)NC2CCC(N)CC2)C1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide?
The InChIKey is GHJLXHJPENRBAQ-PQAZSJQKSA-N. The full InChI is InChI=1S/C16H30N4O2S/c17-11-5-7-12(8-6-11)19-15(21)4-2-1-3-14-9-13(10-23-14)20-16(18)22/h11-14H,1-10,17H2,(H,19,21)(H3,18,20,22)/t11?,12?,13-,14+/m1/s1.
What are the key properties of N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide?
N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide has a molecular weight of 342.51 g/mol, XLogP of 1.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide is sourced from PubChem (CID 129253107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).